| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.056 |
0.148 |
0.238 |
-0.061 |
0.050 |
0.044 |
Slide |
0.148 |
2.161 |
1.763 |
-0.031 |
-0.042 |
-0.102 |
Rise |
0.238 |
1.763 |
9.449 |
-0.221 |
-0.038 |
-0.246 |
Tilt |
-0.061 |
-0.031 |
-0.221 |
0.045 |
0.001 |
0.008 |
Roll |
0.050 |
-0.042 |
-0.038 |
0.001 |
0.021 |
0.008 |
Twist |
0.044 |
-0.102 |
-0.246 |
0.008 |
0.008 |
0.027 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.369 |
-0.270 |
-0.632 |
-0.138 |
-0.060 |
-0.054 |
Slide |
-0.270 |
2.281 |
1.471 |
-0.018 |
-0.016 |
-0.117 |
Rise |
-0.632 |
1.471 |
11.702 |
0.360 |
-0.003 |
-0.171 |
Tilt |
-0.138 |
-0.018 |
0.360 |
0.054 |
0.004 |
0.001 |
Roll |
-0.060 |
-0.016 |
-0.003 |
0.004 |
0.024 |
0.007 |
Twist |
-0.054 |
-0.117 |
-0.171 |
0.001 |
0.007 |
0.030 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.894 |
0.099 |
-0.011 |
-0.098 |
0.002 |
0.004 |
Slide |
0.099 |
3.571 |
0.124 |
-0.006 |
0.005 |
-0.165 |
Rise |
-0.011 |
0.124 |
9.078 |
0.004 |
-0.092 |
-0.270 |
Tilt |
-0.098 |
-0.006 |
0.004 |
0.030 |
-0.000 |
0.000 |
Roll |
0.002 |
0.005 |
-0.092 |
-0.000 |
0.019 |
0.008 |
Twist |
0.004 |
-0.165 |
-0.270 |
0.000 |
0.008 |
0.027 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.969 |
-0.046 |
0.038 |
-0.129 |
-0.000 |
0.003 |
Slide |
-0.046 |
3.154 |
0.590 |
-0.024 |
0.017 |
-0.136 |
Rise |
0.038 |
0.590 |
8.701 |
-0.020 |
-0.064 |
-0.236 |
Tilt |
-0.129 |
-0.024 |
-0.020 |
0.034 |
-0.001 |
-0.000 |
Roll |
-0.000 |
0.017 |
-0.064 |
-0.001 |
0.017 |
0.005 |
Twist |
0.003 |
-0.136 |
-0.236 |
-0.000 |
0.005 |
0.028 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.016 |
0.388 |
0.760 |
-0.117 |
0.024 |
0.000 |
Slide |
0.388 |
2.487 |
1.233 |
-0.022 |
-0.022 |
-0.118 |
Rise |
0.760 |
1.233 |
10.602 |
-0.312 |
-0.001 |
-0.170 |
Tilt |
-0.117 |
-0.022 |
-0.312 |
0.045 |
-0.004 |
0.001 |
Roll |
0.024 |
-0.022 |
-0.001 |
-0.004 |
0.021 |
0.010 |
Twist |
0.000 |
-0.118 |
-0.170 |
0.001 |
0.010 |
0.028 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.044 |
0.204 |
0.250 |
-0.131 |
-0.005 |
-0.015 |
Slide |
0.204 |
3.228 |
3.177 |
0.001 |
0.033 |
-0.037 |
Rise |
0.250 |
3.177 |
12.066 |
-0.028 |
0.115 |
-0.205 |
Tilt |
-0.131 |
0.001 |
-0.028 |
0.042 |
0.002 |
0.001 |
Roll |
-0.005 |
0.033 |
0.115 |
0.002 |
0.029 |
0.007 |
Twist |
-0.015 |
-0.037 |
-0.205 |
0.001 |
0.007 |
0.033 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.153 |
0.067 |
0.725 |
-0.149 |
0.047 |
0.049 |
Slide |
0.067 |
1.820 |
1.561 |
0.006 |
0.005 |
-0.110 |
Rise |
0.726 |
1.561 |
10.983 |
-0.367 |
-0.003 |
-0.172 |
Tilt |
-0.149 |
0.006 |
-0.367 |
0.054 |
-0.003 |
-0.001 |
Roll |
0.047 |
0.005 |
-0.003 |
-0.003 |
0.022 |
0.007 |
Twist |
0.049 |
-0.110 |
-0.172 |
-0.001 |
0.007 |
0.033 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.336 |
0.235 |
0.588 |
-0.141 |
0.056 |
0.018 |
Slide |
0.235 |
1.616 |
1.838 |
0.004 |
0.024 |
-0.085 |
Rise |
0.588 |
1.838 |
9.050 |
-0.251 |
0.012 |
-0.165 |
Tilt |
-0.141 |
0.004 |
-0.251 |
0.050 |
-0.003 |
-0.001 |
Roll |
0.056 |
0.024 |
0.012 |
-0.003 |
0.021 |
0.004 |
Twist |
0.018 |
-0.085 |
-0.165 |
-0.001 |
0.004 |
0.034 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.302 |
0.287 |
0.888 |
-0.152 |
0.047 |
0.020 |
Slide |
0.287 |
2.367 |
1.499 |
-0.002 |
-0.010 |
-0.094 |
Rise |
0.888 |
1.499 |
11.671 |
-0.380 |
0.030 |
-0.194 |
Tilt |
-0.152 |
-0.002 |
-0.380 |
0.058 |
-0.005 |
0.003 |
Roll |
0.047 |
-0.010 |
0.030 |
-0.005 |
0.022 |
0.006 |
Twist |
0.020 |
-0.094 |
-0.194 |
0.003 |
0.006 |
0.035 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.600 |
0.089 |
0.660 |
-0.147 |
0.040 |
0.028 |
Slide |
0.089 |
1.779 |
2.208 |
-0.032 |
0.005 |
-0.077 |
Rise |
0.660 |
2.208 |
9.643 |
-0.301 |
-0.011 |
-0.168 |
Tilt |
-0.147 |
-0.032 |
-0.301 |
0.051 |
-0.003 |
0.001 |
Roll |
0.040 |
0.005 |
-0.011 |
-0.003 |
0.023 |
0.007 |
Twist |
0.028 |
-0.077 |
-0.168 |
0.001 |
0.007 |
0.031 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.157 |
0.144 |
0.594 |
-0.151 |
0.057 |
0.032 |
Slide |
0.144 |
1.777 |
1.695 |
-0.005 |
0.008 |
-0.094 |
Rise |
0.594 |
1.695 |
10.802 |
-0.338 |
-0.020 |
-0.240 |
Tilt |
-0.151 |
-0.005 |
-0.338 |
0.052 |
-0.002 |
0.004 |
Roll |
0.057 |
0.008 |
-0.020 |
-0.002 |
0.021 |
0.009 |
Twist |
0.032 |
-0.094 |
-0.240 |
0.004 |
0.009 |
0.034 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.207 |
-0.109 |
0.986 |
-0.161 |
0.042 |
0.043 |
Slide |
-0.109 |
1.640 |
1.682 |
-0.019 |
0.007 |
-0.089 |
Rise |
0.986 |
1.682 |
10.407 |
-0.344 |
0.033 |
-0.211 |
Tilt |
-0.161 |
-0.019 |
-0.344 |
0.052 |
-0.004 |
0.002 |
Roll |
0.042 |
0.007 |
0.033 |
-0.004 |
0.020 |
0.005 |
Twist |
0.043 |
-0.089 |
-0.211 |
0.002 |
0.005 |
0.031 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.544 |
0.374 |
0.700 |
-0.152 |
0.037 |
0.024 |
Slide |
0.374 |
1.670 |
1.938 |
-0.002 |
0.003 |
-0.075 |
Rise |
0.700 |
1.938 |
10.189 |
-0.276 |
-0.017 |
-0.195 |
Tilt |
-0.152 |
-0.002 |
-0.276 |
0.053 |
-0.004 |
0.000 |
Roll |
0.037 |
0.003 |
-0.017 |
-0.004 |
0.023 |
0.006 |
Twist |
0.024 |
-0.075 |
-0.195 |
0.000 |
0.006 |
0.032 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.234 |
-0.298 |
-0.565 |
-0.046 |
0.012 |
-0.058 |
Slide |
-0.298 |
3.923 |
3.113 |
0.003 |
0.038 |
-0.086 |
Rise |
-0.565 |
3.113 |
11.870 |
-0.025 |
0.141 |
-0.178 |
Tilt |
-0.046 |
0.003 |
-0.025 |
0.044 |
-0.006 |
-0.004 |
Roll |
0.012 |
0.038 |
0.141 |
-0.006 |
0.026 |
0.010 |
Twist |
-0.058 |
-0.086 |
-0.178 |
-0.004 |
0.010 |
0.042 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.723 |
-0.145 |
-0.162 |
-0.063 |
0.002 |
-0.002 |
Slide |
-0.145 |
3.301 |
0.267 |
-0.015 |
0.015 |
-0.139 |
Rise |
-0.162 |
0.267 |
8.765 |
-0.041 |
-0.099 |
-0.226 |
Tilt |
-0.063 |
-0.015 |
-0.041 |
0.032 |
0.001 |
-0.002 |
Roll |
0.002 |
0.015 |
-0.099 |
0.001 |
0.019 |
0.009 |
Twist |
-0.002 |
-0.139 |
-0.226 |
-0.002 |
0.009 |
0.027 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)